SCHEMBL19910780

SCHEMBL19910780

O=C(NC[C@H]1CCC[C@@H](CO)N1C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PREP P48147 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 2/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.41
EPHX1 P07099 1/20 0.41
GRIN2B Q13224 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19898838 1.00 HTR2C (0.48) HTR2CALDH1A1MEN1KMT2APREP
SCHEMBL19898320 0.92 ALDH1A1 (0.48) HTR2CALDH1A1MEN1KMT2APREP
SCHEMBL19910781 0.84 HTR2C (0.47) HTR2CALDH1A1MEN1KMT2APREP
SCHEMBL19898539 0.84 HTR2C (0.47) HTR2CALDH1A1MEN1KMT2APREP
SCHEMBL19898733 0.84 HTR2C (0.47) HTR2CALDH1A1MEN1KMT2APREP
SCHEMBL18410564 0.84 HTR2C (0.57) HTR2CALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9546620 0.84 HTR2C (0.57) HTR2CALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12976063 0.79 ALDH1A1 (0.50) HTR2CALDH1A1MEN1KMT2APREP
SCHEMBL18410486 0.78 HTR2C (0.57) HTR2CALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10332200 0.78 SMN1; SMN2 (0.50) HTR2CALDH1A1MEN1KMT2APREP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180055846-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. 2018-03-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180055846-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF BTK, SYK, LCK HTR2C 2931/4885ALDH1A1 3677/4885MEN1 3370/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.